(1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

C13H24N2O3S — CID 3243034

IUPAC(1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-11-19(17,18)15-9-5-12(6-10-15)13(16)14-7-3-4-8-14/h12H,2-11H2,1H3
InChIKeyHLOMEDUGHJZEOX-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.06
Rot. Bonds4

About (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone

(1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 3243034) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID3243034
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C13H24N2O3S/c1-2-11-19(17,18)15-9-5-12(6-10-15)13(16)14-7-3-4-8-14/h12H,2-11H2,1H3
InChIKeyHLOMEDUGHJZEOX-UHFFFAOYSA-N
XLogP1.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 3239105
1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245033
1-(4-Ethylsulfonylpiperazin-1-yl)-3-methylbutan-1-one
CID 719632
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
2-(8-ethylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370260
2-(8-cyclopropylsulfonyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N,N-dimethylacetamide
CID 97370261
3-Methyl-1-[4-(propylsulfonyl)piperazin-1-yl]butan-1-one
CID 719646
(1-Methylsulfonylpiperidin-4-yl)-piperidin-1-ylmethanone
CID 774898
N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide
CID 1081276

Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone (CID 3243034) is (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is CCCS(=O)(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is HLOMEDUGHJZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-11-19(17,18)15-9-5-12(6-10-15)13(16)14-7-3-4-8-14/h12H,2-11H2,1H3.
What are the key properties of (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone?
(1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 288.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3243034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).